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Target
Protein-arginine deiminase type-2
Ligand
BDBM50450902
Substrate
n/a
Meas. Tech.
ChEMBL_1744057 (CHEMBL4178567)
EC50
20600±n/a nM
Citation
 Muth, A; Subramanian, V; Beaumont, E; Nagar, M; Kerry, P; McEwan, P; Srinath, H; Clancy, K; Parelkar, S; Thompson, PR Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J Med Chem 60:3198-3211 (2017) [PubMed]  Article 
Target
Name:
Protein-arginine deiminase type-2
Synonyms:
KIAA0994 | PAD-H19 | PAD2 | PADI2 | PADI2_HUMAN | PDI2 | Peptidylarginine deiminase II | Protein-arginine deiminase type II
Type:
PROTEIN
Mol. Mass.:
75552.49
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1290379
Residue:
665
Sequence:
MLRERTVRLQYGSRVEAVYVLGTYLWTDVYSAAPAGAQTFSLKHSEHVWVEVVRDGEAEEVATNGKQRWLLSPSTTLRVTMSQASTEASSDKVTVNYYDEEGSIPIDQAGLFLTAIEISLDVDADRDGVVEKNNPKKASWTWGPEGQGAILLVNCDRETPWLPKEDCRDEKVYSKEDLKDMSQMILRTKGPDRLPAGYEIVLYISMSDSDKVGVFYVENPFFGQRYIHILGRRKLYHVVKYTGGSAELLFFVEGLCFPDEGFSGLVSIHVSLLEYMAQDIPLTPIFTDTVIFRIAPWIMTPNILPPVSVFVCCMKDNYLFLKEVKNLVEKTNCELKVCFQYLNRGDRWIQDEIEFGYIEAPHKGFPVVLDSPRDGNLKDFPVKELLGPDFGYVTREPLFESVTSLDSFGNLEVSPPVTVNGKTYPLGRILIGSSFPLSGGRRMTKVVRDFLKAQQVQAPVELYSDWLTVGHVDEFMSFVPIPGTKKFLLLMASTSACYKLFREKQKDGHGEAIMFKGLGGMSSKRITINKILSNESLVQENLYFQRCLDWNRDILKKELGLTEQDIIDLPALFKMDEDHRARAFFPNMVNMIVLDKDLGIPKPFGPQVEEECCLEMHVRGLLEPLGLECTFIDDISAYHKFLGEVHCGTNVRRKPFTFKWWHMVP
  
Inhibitor
Name:
BDBM50450902
Synonyms:
CHEMBL4216140
Type:
Small organic molecule
Emp. Form.:
C26H26FN5O
Mol. Mass.:
443.5159
SMILES:
FCC(=N)NCCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)c1nc2ccccc2[nH]1 |r|
Structure:
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